[gmx-users] Beginner Question -- Grab Info from Output

ANAND AMITKUMAR DHARIA adharia at berkeley.edu
Thu Mar 10 01:13:07 CET 2016


I am running gmx msd and would like to import the value of the calculated
diffusion coefficient and error that is output in my linux terminal. I know
I can view the trajectory with grace or parse the file in a text editor for
its values, but I would just like end calculation. Is there a way I can do
this? I can't seem to find the gmx program either in my computer.


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